2-[1-(4-methylphenyl)ethylideneamino]guanidine

C10H14N4 — CID 2831841

IUPAC2-[1-(4-methylphenyl)ethylideneamino]guanidine
SMILESCC(=NN=C(N)N)c1ccc(C)cc1
InChIInChI=1S/C10H14N4/c1-7-3-5-9(6-4-7)8(2)13-14-10(11)12/h3-6H,1-2H3,(H4,11,12,14)
InChIKeyTZDPDLSSNJSETN-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.99
Rot. Bonds2

About 2-[1-(4-methylphenyl)ethylideneamino]guanidine

2-[1-(4-methylphenyl)ethylideneamino]guanidine (PubChem CID 2831841) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)ethylideneamino]guanidine
PubChem CID2831841
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name2-[1-(4-methylphenyl)ethylideneamino]guanidine
SMILESCC(=NN=C(N)N)c1ccc(C)cc1
InChIInChI=1S/C10H14N4/c1-7-3-5-9(6-4-7)8(2)13-14-10(11)12/h3-6H,1-2H3,(H4,11,12,14)
InChIKeyTZDPDLSSNJSETN-UHFFFAOYSA-N
XLogP0.99
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)ethylideneamino]guanidine?
The IUPAC name of 2-[1-(4-methylphenyl)ethylideneamino]guanidine (CID 2831841) is 2-[1-(4-methylphenyl)ethylideneamino]guanidine.
What is the SMILES notation for 2-[1-(4-methylphenyl)ethylideneamino]guanidine?
The canonical SMILES for 2-[1-(4-methylphenyl)ethylideneamino]guanidine is CC(=NN=C(N)N)c1ccc(C)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)ethylideneamino]guanidine?
The InChIKey is TZDPDLSSNJSETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-7-3-5-9(6-4-7)8(2)13-14-10(11)12/h3-6H,1-2H3,(H4,11,12,14).
What are the key properties of 2-[1-(4-methylphenyl)ethylideneamino]guanidine?
2-[1-(4-methylphenyl)ethylideneamino]guanidine has a molecular weight of 190.25 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)ethylideneamino]guanidine is sourced from PubChem (CID 2831841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).